6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile

C20H22ClN7 — CID 155974931

IUPAC6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
SMILESCC(C)(C)c1cn2nc(N3CCN(c4ncc(C#N)cc4Cl)CC3)ccc2n1
InChIInChI=1S/C20H22ClN7/c1-20(2,3)16-13-28-17(24-16)4-5-18(25-28)26-6-8-27(9-7-26)19-15(21)10-14(11-22)12-23-19/h4-5,10,12-13H,6-9H2,1-3H3
InChIKeyMKLJWWNNODTYKT-UHFFFAOYSA-N
MW395.90 g/mol
LogP3.27
Rot. Bonds2

About 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile

6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile (PubChem CID 155974931) has the molecular formula C20H22ClN7 and a molecular weight of 395.90 g/mol. Its IUPAC name is 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
PubChem CID155974931
Molecular FormulaC20H22ClN7
Molecular Weight395.90 g/mol
Exact Mass395.16
IUPAC Name6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
SMILESCC(C)(C)c1cn2nc(N3CCN(c4ncc(C#N)cc4Cl)CC3)ccc2n1
InChIInChI=1S/C20H22ClN7/c1-20(2,3)16-13-28-17(24-16)4-5-18(25-28)26-6-8-27(9-7-26)19-15(21)10-14(11-22)12-23-19/h4-5,10,12-13H,6-9H2,1-3H3
InChIKeyMKLJWWNNODTYKT-UHFFFAOYSA-N
XLogP3.27
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155975229
5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 139027073
2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350565
1-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 171704098
2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 155974879
2-tert-butyl-6-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350672
2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350782
5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 155975009
5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56795550
5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154882666
6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286764
4-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methyl]-1-methylpyridin-2-one
CID 163350558

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile (CID 155974931) is 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile is CC(C)(C)c1cn2nc(N3CCN(c4ncc(C#N)cc4Cl)CC3)ccc2n1.
What is the InChIKey of 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile?
The InChIKey is MKLJWWNNODTYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7/c1-20(2,3)16-13-28-17(24-16)4-5-18(25-28)26-6-8-27(9-7-26)19-15(21)10-14(11-22)12-23-19/h4-5,10,12-13H,6-9H2,1-3H3.
What are the key properties of 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile?
6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile has a molecular weight of 395.90 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile is sourced from PubChem (CID 155974931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).